3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]benzoic acid

Systemtic Name: 3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]benzoic acid Openeye Name: 3-[(2S)-3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]benzoic acid CAS Name: 3-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propyl]benzoic acid IUPAC Name: 3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]benzoic acid Traditional Name: 3-[(2S)-3-(4-benzoxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]benzoic acid Formula: C28H29NO6 MolecularWeight: 475.53296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C28H29NO6/c1-28(2,3)35-27(33)29-24(25(30)21-10-7-11-22(17-21)26(31)32)16-19-12-14-23(15-13-19)34-18-20-8-5-4-6-9-20/h4-15,17,24H,16,18H2,1-3H3,(H,29,33)(H,31,32)/t24-/m0/s1